BDT40 , CAS No.1620482-23-6

CAS: 1620482-23-6 Cat. No.: B1503545 Fórmula: C₁₈H₁₀S₄ Peso molecular: 354.53

GRADE & PURITY ≥97%

Storage

Protected from light,Room temperature,Desiccated

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Desiccated

Pureza

≥97%

Product Line

B1503545-50mg

Nomes e identificadores

Peso molecular

354.53

Propriedades químicas e físicas

• Sensibilidade: light sensitive

Application Protocols

No item-specific protocols are provided in the Product Data.

General workflow for solution-processed organic semiconductor films (informational):

• Substrate cleaning: Sonicate in detergent, DI water, acetone, isopropanol; dry; optional UV-ozone.
• Solution make-up: Weigh material in an amber vial; add solvent; heat and stir to dissolve; 0.2 µm PTFE filter.
• Coating: Spin coat or blade coat under controlled humidity; adjust rpm/speed for desired thickness.
• Post-treatment: Thermal or solvent-vapor anneal per optimization; cool slowly to reduce film stress.
• Device assembly: Deposit counterlayers/electrodes as required (e.g., evaporated metals). Encapsulate where stability is critical.
• Characterization: UV-Vis, AFM, XRD/GIWAXS, and device testing to correlate morphology with performance.

For BDT40 specifically, consult the CoA/Spec Sheet for any vendor-recommended solvent systems, concentrations, or anneal conditions.

Biological Roles

This product is listed under Materials Science and is intended for research use in materials and device fabrication. It does not have an intended biological role.

General note (informational):

• Benzodithiophene-based small molecules are synthetic organic semiconductors and are not endogenous biomolecules. Any interactions with biological systems would be incidental and are not a focus of their design or use.

For researchers seeking biointerface applications (general guidance):

• Evaluate cytotoxicity and leachables from processing solvents before any exploratory bio-related experiments.
• Surface energy and film roughness can influence cell adhesion; these properties are compound- and process-specific and must be experimentally determined.

No biological function, pathway involvement, or metabolic role is claimed or implied for this item.

Buffer Applications

Not typically applicable. BDT40 is a materials-science small molecule; it is not used to make aqueous buffer systems.

Guidance:

• If solution processing is required, select organic solvents per your thin-film deposition method (see Solvent Selection). For any dispersion attempts in aqueous media (e.g., with surfactants), perform compatibility and stability tests; this is outside typical use for BDT-class semiconductors.

Green Alternatives

When processing conjugated small molecules, solvent selection dominates environmental impact. Although item-specific solubility is unknown, the following general guidance can reduce hazard and waste.

Comparison of common vs greener solvent choices (general):

• Conventional choices: Chlorobenzene, o-dichlorobenzene

  • Pros: Strong solvency, smooth films, slower evaporation aids morphology control.
  • Cons: Chlorinated; higher persistence/toxicity concerns; stricter waste handling.

• Greener alternatives: Toluene, o-xylene, anisole, cyclopentyl methyl ether (CPME)

  • Pros: Lower environmental impact, often lower toxicity; suitable bp range for coating.
  • Cons: May reduce solubility; could require heating, increased concentration, or small additive fractions (e.g., DIO) to match film quality.

• Process strategies:

  • Use hot-solution deposition (60–120 C) with non-chlorinated solvents if stability allows.
  • Explore binary solvent systems (e.g., o-xylene + anisole) to tune drying kinetics.
  • Minimize additive load and verify removability (residuals can impact device reliability).

Operational green improvements:

• Right-size batches to reduce expired solution waste.
• Implement closed-coater exhaust and solvent recovery where feasible.
• Validate lower-temperature anneals or shorter bake times to cut energy use.

Note: Confirm solubility/film quality for BDT40 specifically before transitioning to alternative solvents.

Pharmaceutical Uses

Not applicable. This product is not an excipient and is not intended for pharmaceutical formulation or manufacturing.

Notes:

• No pharmacopeial monograph or excipient listing is provided for this item.
• Use is restricted to research applications in materials science. Do not use in diagnostic, therapeutic, or clinical applications.

Physical Properties

Item-specific physical constants were not provided for BDT40.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not applicable/rarely reported for high-MW conjugated small molecules; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

Literature/general expectations for BDT-type conjugated organics (informational only):

• Often crystalline solids with melting points spanning 150–350 C depending on side chains and end-groups.
• Soluble to varying degrees in aromatic solvents (chlorobenzene, o-dichlorobenzene, toluene, 1,2,4-trimethylbenzene) and, with optimized side chains, in greener solvents (o-xylene, anisole). High-boiling additives (e.g., 1,8-diiodooctane, chloronaphthalene) are sometimes used in thin-film processing.
• Optical properties (λmax, film absorption onsets) and electrochemistry (HOMO/LUMO) are highly structure-dependent and must be taken from the exact compound specification.

Always defer to the item’s CoA/Spec Sheet for definitive properties and to confirm solvent/processing compatibility for your application.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

Context for materials-science small molecules (general information):

• Typical quality attributes include mass purity (HPLC/UPLC), structural identity (1H/13C NMR, HRMS), and microstructure (if oligomeric/polymeric: Mn/Mw by GPC). For optoelectronic use, residual metal content (ICP-MS), halide/ionic residues, and thermal characteristics (DSC/TGA) are often critical.
• “Electronic” or “optoelectronic” grade commonly targets low ionic contamination and tight batch-to-batch absorption/Eg consistency for reproducible device metrics.
• Stabilizers/additives: If present, they are declared on the CoA. None are specified in the Product Data for this item.

What to check on receipt (best practice):

• Verify CAS and lot on CoA; confirm appearance and solubility in your intended solvent system.
• Review spectroscopic data (UV-Vis, CV, HOMO/LUMO if provided) to align with your device design.
• For sensitive applications, request metal content and residual solvent/additive profiles.

Conclusion: Because no explicit grade or purity is listed here, rely on the CoA/Spec Sheet for acceptance criteria relevant to your process.

Reaction and Applications

Manufacturer applications: None provided in Product Data for this item.

General applications for BDT-type materials in materials science (informational, literature-based):

• Organic photovoltaics (OPV): As donor small molecules blended with acceptors (e.g., fullerene or non-fullerene acceptors). Film morphology control via solvent/additives is critical for efficiency and stability.
• Organic field-effect transistors (OFET): As p-type semiconductors with high planarity enabling efficient π–π stacking and hole transport.
• Perovskite solar cells: Selected BDT derivatives serve as dopant-free or doped hole-transport layers; specific performance depends on substituents and film treatment.
• Photodetectors/LEDs: Tailored derivatives can serve as charge-transport or emissive components based on frontier orbital tuning.

Practical tips (general):

• Pre-dry solvents and filter solutions (0.2 µm PTFE) before deposition to remove particulates.
• Substrate preparation (UV-ozone, O2 plasma) improves wetting and film uniformity.
• Thermal or solvent-vapor annealing may optimize crystallinity; conditions are compound-specific and must be established empirically.

Note: The above reflects typical use-cases for BDT-class compounds and is not a statement of suitability for BDT40 specifically. Confirm compatibility and processing windows using the item’s CoA/Spec Sheet and your device requirements.

Reaction Conditions

As a functional material, BDT40 is not typically used as a reagent. The following summarizes general thin-film processing conditions for BDT-like small-molecule semiconductors (informational only):

• Solution preparation: 5–30 mg/mL in CB, o-DCB, toluene, or o-xylene. Gentle heating (60–100 C) and stirring can aid dissolution. Filter through 0.2 µm PTFE.
• Substrates: ITO/glass, ITO/PET, or Si/SiO2 with appropriate interlayers (e.g., PEDOT:PSS, SAMs) depending on device.
• Deposition: Spin coating (500–3000 rpm, 30–60 s) or blade/slot-die coating with controlled solvent atmosphere. Optimize ramp and dwell to avoid striations.
• Thermal treatment: 80–200 C anneal for 5–30 min as a starting space to tune crystallinity; exact temperatures depend on thermal stability/melting of the specific compound.
• Additives: 0.1–5 vol% high-boiling additives may refine morphology; verify no adverse effects on stability.
• Atmosphere: Many devices are fabricated in N2 gloveboxes to limit O2/H2O uptake; necessity depends on the compound’s stability and device stack.

All parameters must be optimized for the exact material and application. Confirm BDT40’s thermal limits, solvent compatibility, and any dopant recommendations from the CoA/Spec Sheet before process development.

Safety and Handling

Item-specific hazard data were not provided in the Product Data. Always consult the SDS for authoritative guidance.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / Pictograms / H-statements: Not specified for this item; refer to SDS.

General safe-handling guidance for organic electronic materials (informational):

• PPE: Use laboratory coat, safety glasses, and appropriate chemically resistant gloves. Handle powders in a fume hood or ventilated enclosure to minimize dust inhalation.
• Incompatibilities: Avoid strong oxidizers and strong acids/bases unless verified compatible. Prevent exposure to ignition sources when using flammable processing solvents.
• Processing solvents: Many thin-film formulations use aromatic or chlorinated solvents; follow solvent-specific SDS (flammability, toxicity, permissible exposure limits).
• Thermal operations: When annealing films or powders, use temperature-controlled hotplates/ovens with adequate ventilation; avoid decomposition.
• First aid (general): Inhalation—move to fresh air; Skin—wash with soap and water; Eyes—rinse cautiously with water for several minutes; Ingestion—seek medical advice. Refer to SDS for details.
• Waste: Collect solid residues and solvent wastes in labeled containers for hazardous disposal per institutional and local regulations.

Note: Without item-specific hazard classification, adopt a precautionary approach and verify controls with your EHS office.

Solvent Selection

Item-specific solubility data are not provided; see CoA/Spec Sheet. The following is general guidance for BDT-like conjugated small molecules in materials processing.

• Polarity class (general): Nonpolar to moderately polar aromatic solvents often dissolve BDT-based semiconductors when equipped with solubilizing side chains.
• Common solvent choices (literature/general):
  • Chlorobenzene (CB), o-dichlorobenzene (o-DCB) for robust solubility and film formation.
  • Toluene or o-xylene for less chlorinated options; anisole as an etheric aromatic alternative.
  • High-boiling additives (0.1–5 vol%): 1,8-diiodooctane (DIO), 1-chloronaphthalene to modulate morphology; verify compatibility with the exact compound.
• Selection criteria:
  • Target film thickness and drying kinetics (bp/evaporation rate).
  • Device stack compatibility (substrate, interlayers) and safety/environmental constraints.
  • Solubility at intended concentration (e.g., 5–30 mg/mL typical for spin coating; confirm for this item).

Small comparison (general):

• CB/o-DCB: High solubility, slower drying, good for uniform films; regulatory caution for chlorinated solvents.
• Toluene/o-xylene: Faster drying, greener profile; may require heating or additives for full dissolution.
• Anisole: Intermediate polarity; can improve wetting on certain substrates.

Always perform a small-scale solubility screen and film-quality check with your exact lot.

Storage and Reconstitution

• Storage conditions (from Product Data): Room temperature.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.

Best practices for conjugated small molecules (general guidance):

• Store in a dry, inert environment if possible (desiccator or N2 glovebox) and protect from prolonged light to preserve optoelectronic properties. Keep container tightly closed to limit moisture/oxygen ingress.
• For solution stocks, prepare in dry, oxygen-free solvents; store in amber vials at room temperature or refrigerated as compatible with solvent and material stability. Use within a few days to minimize degradation; discard if precipitation or color change occurs.
• Avoid repeated heating/cooling cycles; dissolve only the amount needed for immediate use.

Reconstitution (if supplied as a solid):

• Use a validated solvent system from your process development (see Solvent Selection). Warm gently and filter before deposition.

Always prioritize any storage and handling instructions on the item’s CoA/Spec Sheet and SDS over general recommendations.

Structure and Identity

Item-specific identifiers provided are limited for this listing. Where data are missing, consult the CoA/Spec Sheet or request technical support.

• SKU: B1503545 (BDT40)
• CAS: 1620482-23-6
• Category: Materials Science (general)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

General structural note (literature/general):

• The name “BDT40” suggests a benzodithiophene (BDT)-based conjugated small molecule or oligomeric semiconductor used in organic electronics. BDT cores are planar, sulfur-rich fused ring systems frequently decorated with thiophene, ester, alkylthienyl, or acceptor units to tune HOMO/LUMO and solubility. Specific substitution, regiochemistry, and side-chain patterning determine thin-film morphology and optoelectronic properties.

2D structural description (generic for BDT-class, not item-specific):

• A central fused benzodithiophene scaffold often flanked symmetrically by π-bridges (e.g., thiophene) and terminal donor/acceptor groups; multiple alkyl side chains enhance solution processability.

Important: No structure is confirmed for this specific item in the Product Data. Use only the CoA/Spec Sheet for definitive identifiers and structural depiction.

Synthetic Utility

As offered, BDT40 is positioned as a functional material rather than a synthetic building block.

General perspective (literature-based, for BDT-type scaffolds):

• Core reactivity: Benzodithiophene frameworks are commonly constructed and diversified via cross-coupling (Suzuki–Miyaura, Stille, Kumada) using halogenated BDT cores and boron/tin/magnesium partners. However, the final semiconductor products are generally used as-is in devices, not as intermediates.
• End-group tuning: Electron-withdrawing end groups (e.g., rhodanine, diketopyrrolopyrrole, INCN-type) or donor end groups modulate HOMO/LUMO and solid-state packing; these features are baked into the final molecule rather than modified post-synthesis.
• Post-deposition chemistry: Limited; some systems allow doping (e.g., with F4TCNQ) or surface functionalization, but these are physical mixtures or interfacial treatments rather than covalent transformations.

Takeaway: Treat BDT40 as a device-grade active/transport material. If you intend to derivatize it, confirm functional handles on the exact structure via the CoA; otherwise, plan upstream synthesis on a modifiable precursor.

Target Specificity

Not applicable. This product is not a biological reagent (e.g., antibody, enzyme, ligand) and has no target specificity data. It is intended for materials research.

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1620482-23-6.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.